In the body, cell monolayers serve as permeability barriers, determining transport of molecules from one organ or tissue compartment to another. After oral drug administration, for example, transport

NIAID Data Ecosystem30

Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2

药物发现

计算机辅助药物设计

COVID-19 caused by a positive-sense single stranded RNA virus named as severe acute respiratory syndrome-Coronavirus-2 (SARS-CoV-2) triggered the global pandemic. This virus has infected about 10.37 C

DataCite Commons2021-03-08 更新20

Binding energy calculation of Lupenone with 2AYD and non-bonded interaction energies from MMGBSA trajectories.

分子对接

计算机辅助药物设计

Binding energy calculation of Lupenone with 2AYD and non-bonded interaction energies from MMGBSA trajectories.

NIAID Data Ecosystem40

DataSheet1_Design and synthesis of ERα agonists: Effectively reduce lipid accumulation.docx

非酒精性脂肪肝药物研究

计算机辅助药物设计

In recent years, the incidence of non-alcoholic fatty liver disease (NAFLD) has been increasing worldwide. Hepatic lipid deposition is a major feature of NAFLD, and insulin resistance is one of the mo

NIAID Data Ecosystem20

Prediction in silico of absorption of cytidine derivatives.

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